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	hartrees
Energy at 0K	-229.089510
Energy at 298.15K	-229.096462
Nuclear repulsion energy	135.055921

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3053	3020	0.00
2	A_g	2921	2889	0.00
3	A_g	1448	1432	0.00
4	A_g	1368	1353	0.00
5	A_g	1237	1224	0.00
6	A_g	1063	1051	0.00
7	A_g	846	837	0.00
8	A_g	485	479	0.00
9	A_u	2980	2948	75.93
10	A_u	1369	1354	20.55
11	A_u	1129	1116	0.47
12	A_u	201	199	3.87
13	A_u	40	40	8.82
14	B_g	2980	2947	0.00
15	B_g	1366	1352	0.00
16	B_g	1136	1124	0.00
17	B_g	259	256	0.00
18	B_u	3053	3019	11.83
19	B_u	2917	2885	99.48
20	B_u	1440	1424	30.58
21	B_u	1361	1346	0.01
22	B_u	1133	1121	56.99
23	B_u	1081	1069	49.44
24	B_u	299	296	12.51

Atom	x (Å)	y (Å)	z (Å)
O1	-0.434	0.580	0.000
O2	0.434	-0.580	0.000
C3	0.434	1.663	0.000
C4	-0.434	-1.663	0.000
H5	-0.217	2.548	0.000
H6	1.072	1.676	0.902
H7	1.072	1.676	-0.902
H8	0.217	-2.548	0.000
H9	-1.072	-1.676	0.902
H10	-1.072	-1.676	-0.902

	O1	O2	C3	C4	H5	H6	H7	H8	H9	H10
O1		1.4481	1.3875	2.2424	1.9805	2.0689	2.0689	3.1951	2.5112	2.5112
O2	1.4481		2.2424	1.3875	3.1951	2.5112	2.5112	1.9805	2.0689	2.0689
C3	1.3875	2.2424		3.4366	1.0993	1.1046	1.1046	4.2166	3.7713	3.7713
C4	2.2424	1.3875	3.4366		4.2166	3.7713	3.7713	1.0993	1.1046	1.1046
H5	1.9805	3.1951	1.0993	4.2166		1.7990	1.7990	5.1152	4.4028	4.4028
H6	2.0689	2.5112	1.1046	3.7713	1.7990		1.8034	4.4028	3.9779	4.3676
H7	2.0689	2.5112	1.1046	3.7713	1.7990	1.8034		4.4028	4.3676	3.9779
H8	3.1951	1.9805	4.2166	1.0993	5.1152	4.4028	4.4028		1.7990	1.7990
H9	2.5112	2.0689	3.7713	1.1046	4.4028	3.9779	4.3676	1.7990		1.8034
H10	2.5112	2.0689	3.7713	1.1046	4.4028	4.3676	3.9779	1.7990	1.8034

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	104.500	O1	C3	H5	104.985
O1	C3	H6	111.726	O1	C3	H7	111.726
O2	O1	C3	104.500	O2	C4	H8	104.985
O2	C4	H9	111.726	O2	C4	H10	111.726
H5	C3	H6	109.429	H5	C3	H7	109.429
H6	C3	H7	109.431	H8	C4	H9	109.429
H8	C4	H10	109.429	H9	C4	H10	109.431

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)

using model chemistry: LSDA/cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	O	-0.151
2	O	-0.151
3	C	-0.114
4	C	-0.114
5	H	0.108
6	H	0.079
7	H	0.079
8	H	0.108
9	H	0.079
10	H	0.079

	x	y	z
x	5.144	0.486	0.000
y	0.486	7.592	0.000
z	0.000	0.000	4.888

<r²>	90.747
(<r²>)^1/2	9.526

All results from a given calculation for CH3OOCH3 (dimethylperoxide)

using model chemistry: LSDA/cc-pVTZ

States and conformations

All results from a given calculation for CH₃OOCH₃ (dimethylperoxide)